N-(4-bromo-2-methoxyphenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide | 1161763-22-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: N-(4-bromo-2-methoxyphenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
• CAS: 1161763-22-9
• 化学式: C₁₈H₁₈BrNO₄
• 分子量: 392.249
• InChiKey: VCQLELPZKUNQKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  56.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-吡唑硼酸频哪醇酯 、 N-(4-bromo-2-methoxyphenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 1.0h， 生成 6-methoxy-N-(2-methoxy-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
  参考文献：
  名称：

  Chroman-3-amides as potent Rho kinase inhibitors

  摘要：

  Inhibition of Rho kinase (ROCK) is an attractive strategy for the treatment of diseases such as hypertension, glaucoma, and cancer. Here we report chroman-3-amides as highly potent ROCK inhibitors with sufficient kinase selectivity, excellent cell activity, good microsomal stability, and desirable pharmacokinetic properties for study as potential therapeutic agents. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.080
• 作为产物：
  描述：

  6-甲氧基苯并二氢吡喃-3-羧酸 、 4-溴-2-甲氧基苯胺 在 N-甲基吗啉 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 N-(4-bromo-2-methoxyphenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
  参考文献：
  名称：

  Chroman-3-amides as potent Rho kinase inhibitors

  摘要：

  Inhibition of Rho kinase (ROCK) is an attractive strategy for the treatment of diseases such as hypertension, glaucoma, and cancer. Here we report chroman-3-amides as highly potent ROCK inhibitors with sufficient kinase selectivity, excellent cell activity, good microsomal stability, and desirable pharmacokinetic properties for study as potential therapeutic agents. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.080

文献信息

• BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS
  申请人：Feng Yangbo

  公开号：US20110150833A1

  公开（公告）日：2011-06-23

  Compounds useful as Rho kinase inhibitors of formula (1) wherein the variables are as defined herein are provided. Methods of treatment of malconditions mediated by Rho kinase, and methods of preparation of the compounds, are also provided.

  提供了一些公式（1）中变量的Rho激酶抑制剂，这些化合物可用于治疗由Rho激酶介导的疾病。还提供了制备这些化合物的方法和治疗Rho激酶介导的疾病的方法。
• Chroman-3-amides as potent Rho kinase inhibitors
  作者：Yen Ting Chen、Thomas D. Bannister、Amiee Weiser、Evelyn Griffin、Li Lin、Claudia Ruiz、Michael D. Cameron、Stephan Schürer、Derek Duckett、Thomas Schröter、Philip LoGrasso、Yangbo Feng

  DOI：10.1016/j.bmcl.2008.10.080

  日期：2008.12

  Inhibition of Rho kinase (ROCK) is an attractive strategy for the treatment of diseases such as hypertension, glaucoma, and cancer. Here we report chroman-3-amides as highly potent ROCK inhibitors with sufficient kinase selectivity, excellent cell activity, good microsomal stability, and desirable pharmacokinetic properties for study as potential therapeutic agents. (C) 2008 Elsevier Ltd. All rights reserved.